SCHEMBL7979368

SCHEMBL7979368

O=C(NCCCOc1c(Cl)cc(O)cc1Cl)c1ccc2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
ALDH1A1 P00352 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
ATM Q13315 1/20 0.62
HPGD P15428 1/20 0.58
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SLC6A4 P31645 4/20 0.52
OPRM1 P35372 2/20 0.51
TMEM97 Q5BJF2 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
OPRK1 P41145 1/20 0.51
SLC6A2 P23975 1/20 0.49
PKM P14618 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7979053 0.97 MAPT (0.58) MAPTALDH1A1L3MBTL1SMN1; SMN2ATM
SCHEMBL7979386 0.85 MAPT (0.58) MAPTALDH1A1L3MBTL1SMN1; SMN2ATM
SCHEMBL27559609 0.83 MAPT (0.69) MAPTALDH1A1L3MBTL1SMN1; SMN2ATM
SCHEMBL27481169 0.80 MAPT (0.65) MAPTALDH1A1L3MBTL1SMN1; SMN2ATM
SCHEMBL7979206 0.78 RAB9A (0.55) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7975901 0.76 SCN9A (0.49) KMT2A
SCHEMBL7979207 0.75 GPR84 (0.51) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL7978905 0.74 KMT2A (0.59) ATMHPGDKDM4ECYP1A2CYP3A4
SCHEMBL10243011 0.74 ALDH1A1 (0.70) MAPTALDH1A1L3MBTL1SMN1; SMN2ATM
SCHEMBL16492626 0.74 ALDH1A1 (0.66) MAPTALDH1A1L3MBTL1SMN1; SMN2ATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP claimed
EP-0824514-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-02-25 EP claimed
WO-1996033160-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-24 WO claimed
US-6214835-B1 CONTROLLING INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-04-10 US disclosed
EP-0824514-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-09-06 EP disclosed
US-6028100-A Dihalopropene compounds, insecticides containing them as active ingredients, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-02-22 US disclosed
US-5952386-A EXCELLENT INSECTICIDAL ACTIVITY FOR THE CONTROL OF NOXIOUS INSECTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-09-14 US disclosed
WO-1996033160-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDES CONTAINING THEM AS ACTIVE INGREDIENTS, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-10-24 WO disclosed